3-[2-(4-methylanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-[2-(4-methylanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one
3-[2-(4-methylanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2103-2703 |
| Compound Name: | 3-[2-(4-methylanilino)-1,3-thiazol-4-yl]-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C19 H13 N3 O4 S |
| Smiles: | Cc1ccc(cc1)Nc1nc(cs1)C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1108 |
| logD: | 5.1108 |
| logSw: | -5.1353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.229 |
| InChI Key: | WBQUCTFMGJKMKY-UHFFFAOYSA-N |